Chemical Properties of 2,4-Hexadienedioic acid, dimethyl ester, (E,E)- (CAS 1119-43-3)

InChI

InChI=1S/C8H10O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H,1-2H3/b5-3+,6-4+

InChI Key

PXYBXMZVYNWQAM-GGWOSOGESA-N

Formula

C8H10O4

SMILES

COC(=O)C=CC=CC(=O)OC

Molecular Weight¹

170.16

CAS

1119-43-3

Other Names

• Dimethyl (E,E)-muconate
• Dimethyl trans,trans-muconate
• trans,trans-Dimethyl muconate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[179.86; 387.11]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.80700e+01
Coefficient B			6.94240e-01
Coefficient C			-3.89800e-04
Coefficient D			6.46000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	179.86	J/mol×K	273.00	Calculated Property
Cp,gas	217.75	J/mol×K	353.78	Calculated Property
Cp,gas	251.45	J/mol×K	434.56	Calculated Property
Cp,gas	281.16	J/mol×K	515.33	Calculated Property
Cp,gas	307.08	J/mol×K	596.11	Calculated Property
Cp,gas	329.43	J/mol×K	676.89	Calculated Property
Cp,gas	348.40	J/mol×K	757.67	Calculated Property
Cp,gas	364.20	J/mol×K	838.44	Calculated Property
Cp,gas	377.04	J/mol×K	919.22	Calculated Property
Cp,gas	387.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002721; 0.0001587]	Pa×s	[428.15; 491.35]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.24032e+01
Coefficient B			1.79564e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			428.15
Temperature range, max.			491.35
η	0.0002721	Pa×s	428.15	Calculated Property
η	0.0002543	Pa×s	435.17	Calculated Property
η	0.0002382	Pa×s	442.19	Calculated Property
η	0.0002235	Pa×s	449.22	Calculated Property
η	0.0002102	Pa×s	456.24	Calculated Property
η	0.0001980	Pa×s	463.26	Calculated Property
η	0.0001869	Pa×s	470.28	Calculated Property
η	0.0001767	Pa×s	477.31	Calculated Property
η	0.0001673	Pa×s	484.33	Calculated Property
η	0.0001587	Pa×s	491.35	Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Hexadienedioic acid, dimethyl ester, (E,E)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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